diethyl-[3-[2-[hydroxy(diphenyl)methyl]phenoxy]propyl]-methylazanium4-methylbenzenesulfonate

diethyl-[3-[2-[hydroxy(diphenyl)methyl]phenoxy]propyl]-methylazanium;4-methylbenzenesulfonate

CAS: 66902-94-1

Molecular Formula	`C34H41NO5S`
Molecular Weight	575.8 g/mol
Topological Polar Surface Area	95.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	10
Exact Mass	575.27057
Heavy Atoms	41
Complexity	652.0

Chemical Identifiers

CAS Number	66902-94-1
SMILES	`CC[N+](C)(CC)CCCOC1=CC=CC=C1C(C2=CC=CC=C2)(C3=CC=CC=C3)O.CC1=CC=C(C=C1)S(=O)(=O)[O-]`
InChIKey	`RCMBKFAGERBIKG-UHFFFAOYSA-M`

📖 Product Overview

diethyl-[3-[2-[hydroxy(diphenyl)methyl]phenoxy]propyl]-methylazanium4-methylbenzenesulfonate (CAS: 66902-94-1) is a chemical compound with molecular formula C34H41NO5S and molecular weight 575.8 g/mol. Its IUPAC systematic name is diethyl-[3-[2-[hydroxy(diphenyl)methyl]phenoxy]propyl]-methylazanium;4-methylbenzenesulfonate. Topological Polar Surface Area 95.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 10 Exact Mass 575.27057 Heavy Atoms 41 Complexity 652.0 InChI Key: RCMBKFAGERBIKG-UHFFFAOYSA-M. SMILES: CC[N+](C)(CC)CCCOC1=CC=CC=C1C(C2=CC=CC=C2)(C3=CC=CC=C3)O.CC1=CC=C(C=C1)S(=O)(=O)[O-].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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📚 Academic Support

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